tert-butyl 7-azido-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptanoate

Systemtic Name: tert-butyl 7-azido-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptanoate Openeye Name: tert-butyl 7-azido-3-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]heptanoate CAS Name: 7-azido-3-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-azido-3-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]heptanoate Traditional Name: 7-azido-3-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]enanthic acid tert-butyl ester Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCN=[N+]=[N-])C(=O)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCN=[N+]=[N-])C(=O)NC(CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C22H33N5O4/c1-22(2,3)31-19(28)15-17(12-8-9-13-25-27-23)20(29)26-18(21(30)24-4)14-16-10-6-5-7-11-16/h5-7,10-11,17-18H,8-9,12-15H2,1-4H3,(H,24,30)(H,26,29)